2-(4-(TRIFLUOROMETHYL)PHENYL)-2-OXOACETONITRILE
OXO-(4-TRIFLUOROMETHYL-PHENYL)-ACETONITRILE
CAS: 80277-40-3
Molecular Formula: C9H4F3NO
2-(4-(TRIFLUOROMETHYL)PHENYL)-2-OXOACETONITRILE - Names and Identifiers
2-(4-(TRIFLUOROMETHYL)PHENYL)-2-OXOACETONITRILE - Physico-chemical Properties
| Molecular Formula | C9H4F3NO |
| Molar Mass | 199.13 |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
2-(4-(TRIFLUOROMETHYL)PHENYL)-2-OXOACETONITRILE - Risk and Safety
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 3276 |
2-(4-(TRIFLUOROMETHYL)PHENYL)-2-OXOACETONITRILE - Reference Information
| introduction | oxo-(4-trifluoromethyl-phenyl-acetylcyanide is a pharmaceutical intermediate, which can be prepared by one-step reaction of p-trifluoromethyl benzoyl chloride and cuprous cyanide. |
| use | oxo-4-trifluoromethyl-phenyl-acetylcyanide is a pharmaceutical intermediate, and it has been reported in the literature that it can be used to prepare modulators of dopamine D3 receptors. |
| preparation | p-trifluoromethylbenzoyl chloride (20mmol) is added to the stirred suspension of cuprous cyanide (I)(3.59g,40mmol) in anhydrous acetonitrile (70mL) under argon atmosphere. After refluxing for 2-4 hours, the resulting clarified solution was cooled to room temperature and concentrated in vacuum. The residue was washed with ether or ethyl acetate, filtered and vacuum concentrated again. After additional distillation, the desired product oxo-(4-trifluoromethyl-phenyl-acetylcyanide) is obtained. Colorless oil with a yield of 59%. |
Last Update：2024-04-09 19:05:04
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CAS: 80277-40-3
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